CID 500937

Chembl64373

Structural Information

Molecular Formula
C18H10ClIN4O2
SMILES
C1=CC=NC(=C1)C2=NC3=C(N2)C(=O)C(=C(C3=O)NC4=CC=C(C=C4)I)Cl
InChI
InChI=1S/C18H10ClIN4O2/c19-12-13(22-10-6-4-9(20)5-7-10)17(26)15-14(16(12)25)23-18(24-15)11-3-1-2-8-21-11/h1-8,22H,(H,23,24)
InChIKey
CGQVBYLCRCVBQQ-UHFFFAOYSA-N
Compound name
6-chloro-5-(4-iodoanilino)-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

475.9537 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.96098 184.7
[M+Na]+ 498.94292 188.6
[M-H]- 474.94642 183.5
[M+NH4]+ 493.98752 191.0
[M+K]+ 514.91686 186.0
[M+H-H2O]+ 458.95096 171.2
[M+HCOO]- 520.95190 194.6
[M+CH3COO]- 534.96755 190.6
[M+Na-2H]- 496.92837 176.4
[M]+ 475.95315 183.0
[M]- 475.95425 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.